N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C21H19FN2O4 — CID 134036129

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 134036129) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 134036129
• Molecular Formula: C21H19FN2O4
• Molecular Weight: 382.39 g/mol
• Exact Mass: 382.13
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: O=C(CCc1ncc(-c2ccccc2F)o1)NCc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C21H19FN2O4/c22-16-4-2-1-3-15(16)19-13-24-21(28-19)8-7-20(25)23-12-14-5-6-17-18(11-14)27-10-9-26-17/h1-6,11,13H,7-10,12H2,(H,23,25)
• InChIKey: MBFNCQONKBSEGR-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.39
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 134036129) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccccc2F)o1)NCc1ccc2c(c1)OCCO2.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The InChIKey is MBFNCQONKBSEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c22-16-4-2-1-3-15(16)19-13-24-21(28-19)8-7-20(25)23-12-14-5-6-17-18(11-14)27-10-9-26-17/h1-6,11,13H,7-10,12H2,(H,23,25).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 382.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 134036129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).